(E)-2-methyl-5-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-3-enoic acid

Systemtic Name: (E)-2-methyl-5-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-3-enoic acid Openeye Name: (E)-5-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-pent-3-enoic acid CAS Name: (E)-2-methyl-5-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3-pentenoic acid IUPAC Name: (E)-2-methyl-5-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-3-enoic acid Traditional Name: (E)-5-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-methyl-pent-3-enoic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(/C=C/CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H26N2O5/c1-17(22(27)28)9-8-14-24-21(26)20(15-18-10-4-2-5-11-18)25-23(29)30-16-19-12-6-3-7-13-19/h2-13,17,20H,14-16H2,1H3,(H,24,26)(H,25,29)(H,27,28)/b9-8+